Information card for entry 4129438

Structure parameters

• Formula: C19 H34 B F4 P
• Calculated formula: C19 H34 B F4 P
• SMILES: [P+](C(C)(C)C)(C1[C@@H]2C=CC=C[C@H]12)(C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: 1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.
• Authors of publication: Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 23
• Pages of publication: 7298 - 7301
• a: 15.2365 ± 0.0019 Å
• b: 8.3072 ± 0.0007 Å
• c: 16.1953 ± 0.0016 Å
• α: 90°
• β: 96.248 ± 0.008°
• γ: 90°
• Cell volume: 2037.7 ± 0.4 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No